N-Ethyl-N,N-dimethylcyclohexanaminium hydroxide

CAS Number: 105197-93-1
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CC[N+](C)(C)C1CCCCC1.[OH-]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HO.C10H22N
Molecular Weight
156.292
Drug-likeness
-5.3528
CAS
105197-93-1
InChI key
FCFGWEMSHODFCO-UHFFFAOYSA-M
SMILES
CC[N+](C)(C)C1CCCCC1.[OH-]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 105197-93-1
Molecule Name N-Ethyl-N,N-dimethylcyclohexanaminium hydroxide
Molecular Formula HO.C10H22N
SMILES CC[N+](C)(C)C1CCCCC1.[OH-]
InChI InChI=1S/C10H22N.H2O/c1-4-11(2,3)10-8-6-5-7-9-10;/h10H,4-9H2,1-3H3;1H2/q+1;/p-1
InChI Key FCFGWEMSHODFCO-UHFFFAOYSA-M
CanonicalSyTyLFy f72cd86f87ebf20f
TotalMolweight 173.299
Molecular Weight 156.292
MonoisotopicMass 156.175224
CLogP -1.1114
CLogS -1.416
H Acceptors 1
TotalSurfaceArea 137.72
Relative PSA -0.05533
Drug-likeness -5.3528
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Nasty Functions quart. ammonium
Shape Index 0.63636
Molecula Flexibility 0.59973
Molecular Complexity 0.54161
Fragments 2
Non HAtoms 11
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Sp3Atoms 11
Symmetricatoms 3
Amines 1
AlkylAmines 1

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